Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1219209

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1219209
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Sm', 'Bi', 'Ru', 'O']
  • Chemical System: Bi-O-Ru-Sm
  • Density: 7.656457915670079
  • Atomic Density: 0.07873606188129613
  • Unit Cell Volume: 279.41453349759337
  • Molar Volume: 7.648516595964738
  • Full Formula: Sm3 Bi1 Ru4 O14
  • Reduced Formula: Sm3Bi(Ru2O7)2
  • Formula Anonymous: AB3C4D14
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -174.91258717
  • Final energy per atom: -7.950572144090909
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.